SCHEMBL480763

SCHEMBL480763

CC(c1ccc(Oc2ccc(C(=O)O)c(C(F)(F)F)c2)cc1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
HRH1 P35367 1/20 0.35
CCR3 P51677 1/20 0.35
SCN8A Q9UQD0 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
PPARG P37231 1/20 0.33
MEN1 O00255 1/20 0.33
TTR P02766 1/20 0.33
PPOX P50336 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTGER4 P35408 1/20 0.33
PDE2A O00408 1/20 0.31
HTR2A P28223 1/20 0.31
SLC6A4 P31645 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
F11 P03951 1/20 0.31
S1PR2 O95136 1/20 0.30
MRGPRX4 Q96LA9 1/20 0.30
NOTUM Q6P988 2/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL754543 1.00 KCNH2 (0.35) KCNH2HRH1CCR3SCN8ASCN10A
SCHEMBL734909 0.94 S1PR2 (0.34) KCNH2HRH1CCR3SCN8ASCN10A
SCHEMBL754450 0.94 S1PR2 (0.34) KCNH2HRH1CCR3SCN8ASCN10A
SCHEMBL733267 0.91 P2RX3 (0.34) KCNH2SCN8ASCN10AMEN1TTR
SCHEMBL753045 0.91 P2RX3 (0.34) KCNH2SCN8ASCN10AMEN1TTR
SCHEMBL752281 0.90 MAPK10 (0.37) KCNH2HRH1CCR3SCN8ASCN10A
SCHEMBL732783 0.90 MAPK10 (0.37) KCNH2HRH1CCR3SCN8ASCN10A
SCHEMBL734434 0.89 PTGER4 (0.38) PTGER4F11
SCHEMBL753038 0.89 PTGER4 (0.38) PTGER4F11
SCHEMBL755671 0.89 RHEB (0.33) KCNH2HRH1CCR3PPARGMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP claimed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US claimed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US claimed
EP-2411361-B1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-06-18 EP disclosed
US-8138189-B2 Substituted benzene compounds as modulators of the glucocorticoid receptor HOFFMAN-LA ROCHE INC. (US) 2012-03-20 US disclosed
EP-2411361-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
WO-2010108902-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249139-A1 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, CRHR1 KCNH2 2332/4885HRH1 262/4885CCR3 986/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.